1-cyano-N-[1-(4-fluorophenyl)ethyl]-3-methylcyclobutane-1-carboxamide

C15H17FN2O — CID 80502263

IUPAC1-cyano-N-[1-(4-fluorophenyl)ethyl]-3-methylcyclobutane-1-carboxamide
SMILESCC1CC(C#N)(C(=O)NC(C)c2ccc(F)cc2)C1
InChIInChI=1S/C15H17FN2O/c1-10-7-15(8-10,9-17)14(19)18-11(2)12-3-5-13(16)6-4-12/h3-6,10-11H,7-8H2,1-2H3,(H,18,19)
InChIKeyOCUGRMDBDNJXDH-UHFFFAOYSA-N
MW260.31 g/mol
LogP2.94
Rot. Bonds3

About 1-cyano-N-[1-(4-fluorophenyl)ethyl]-3-methylcyclobutane-1-carboxamide

1-cyano-N-[1-(4-fluorophenyl)ethyl]-3-methylcyclobutane-1-carboxamide (PubChem CID 80502263) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 1-cyano-N-[1-(4-fluorophenyl)ethyl]-3-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[1-(4-fluorophenyl)ethyl]-3-methylcyclobutane-1-carboxamide
PubChem CID80502263
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name1-cyano-N-[1-(4-fluorophenyl)ethyl]-3-methylcyclobutane-1-carboxamide
SMILESCC1CC(C#N)(C(=O)NC(C)c2ccc(F)cc2)C1
InChIInChI=1S/C15H17FN2O/c1-10-7-15(8-10,9-17)14(19)18-11(2)12-3-5-13(16)6-4-12/h3-6,10-11H,7-8H2,1-2H3,(H,18,19)
InChIKeyOCUGRMDBDNJXDH-UHFFFAOYSA-N
XLogP2.94
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyano-N-[1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 61459924
1-cyano-3-methyl-N-[1-(2-methylphenyl)ethyl]cyclobutane-1-carboxamide
CID 80502059
1-cyano-3-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclobutane-1-carboxamide
CID 113255770
1-cyano-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide
CID 99703015
N-but-3-yn-2-yl-1-cyano-3-methylcyclobutane-1-carboxamide
CID 114417346
N-[1-(4-cyanophenyl)ethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 56811633
1-cyano-N-(3,3-dimethylbutan-2-yl)-3-methylcyclobutane-1-carboxamide
CID 104828325
1-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 81350015
N-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]adamantane-1-carboxamide
CID 18111449
4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]oxane-4-carboxamide
CID 115295213
1-(aminomethyl)-N-[1-(4-fluorophenyl)ethyl]cyclobutane-1-carboxamide
CID 80588663
2-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 4878219

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[1-(4-fluorophenyl)ethyl]-3-methylcyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-[1-(4-fluorophenyl)ethyl]-3-methylcyclobutane-1-carboxamide (CID 80502263) is 1-cyano-N-[1-(4-fluorophenyl)ethyl]-3-methylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[1-(4-fluorophenyl)ethyl]-3-methylcyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[1-(4-fluorophenyl)ethyl]-3-methylcyclobutane-1-carboxamide is CC1CC(C#N)(C(=O)NC(C)c2ccc(F)cc2)C1.
What is the InChIKey of 1-cyano-N-[1-(4-fluorophenyl)ethyl]-3-methylcyclobutane-1-carboxamide?
The InChIKey is OCUGRMDBDNJXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-10-7-15(8-10,9-17)14(19)18-11(2)12-3-5-13(16)6-4-12/h3-6,10-11H,7-8H2,1-2H3,(H,18,19).
What are the key properties of 1-cyano-N-[1-(4-fluorophenyl)ethyl]-3-methylcyclobutane-1-carboxamide?
1-cyano-N-[1-(4-fluorophenyl)ethyl]-3-methylcyclobutane-1-carboxamide has a molecular weight of 260.31 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[1-(4-fluorophenyl)ethyl]-3-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 80502263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).